SIMILAR PATTERNS OF AMINO ACIDS FOR 2XH9_A_J01A1437

List of similar pattern of amino acids derived from ASSAM search

Hit pattern: 3D amino acid arrangements similar to known drug binding site
Query pattern: Residues from known binding site for annotated drug that match the hit pattern

(Click link on the last column to view superposed patterns of amino acids in NGL viewer)
(Note that only 3-12 residue patterns can be used for ASSAM searches)
Filter list by:
Hit Macromolecule/
Organism		 Pfam Res. Interface HETATM RMSD Dali Z-score Seq. Identity (%) View Dock
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1awb MYO-INOSITOL
MONOPHOSPHATASE

(Homo sapiens) 		PF00459
(Inositol_P) 		5 SER A 108
TYR A 211
ALA A 224
GLY A 223
ALA A 222
 None
 1.45A 2xh9A-1awbA:
0.0		 2xh9A-1awbA:
22.27
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1fft UBIQUINOL OXIDASE

(Escherichia
coli) 		PF00115
(COX1) 		5 SER A 500
ALA A 467
GLY A 501
ALA A 502
PHE A 468
 None
None
None
HEM  A1001 ( 4.7A)
HEM  A1001 (-4.7A)
 1.39A 2xh9A-1fftA:
0.0		 2xh9A-1fftA:
20.83
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ltm 36 KDA SOLUBLE LYTIC
TRANSGLYCOSYLASE

(Escherichia
coli) 		PF13406
(SLT_2) 		5 ALA A 218
GLY A 219
ALA A 220
MET A 227
ARG A 188
 EDO  A 402 ( 3.8A)
None
BCN  A 401 ( 3.9A)
BCN  A 401 (-4.0A)
EDO  A 402 (-3.2A)
 1.49A 2xh9A-1ltmA:
undetectable		 2xh9A-1ltmA:
19.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1mkp PYST1

(Homo sapiens) 		PF00782
(DSPc) 		5 LYS A 327
SER A 293
SER A 300
GLY A 296
ALA A 219
 None
CL  A 500 (-3.0A)
None
CL  A 500 ( 4.0A)
None
 1.50A 2xh9A-1mkpA:
undetectable		 2xh9A-1mkpA:
15.12
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1pe9 PECTATE LYASE A

(Dickeya
chrysanthemi) 		PF00544
(Pec_lyase_C) 		5 THR A  89
TYR A  36
ALA A  50
GLY A  51
ALA A  52
 None
 1.19A 2xh9A-1pe9A:
0.0		 2xh9A-1pe9A:
23.50
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qaf PROTEIN (COPPER
AMINE OXIDASE)

(Escherichia
coli) 		PF01179
(Cu_amine_oxid)
PF02727
(Cu_amine_oxidN2)
PF02728
(Cu_amine_oxidN3)
PF07833
(Cu_amine_oxidN1) 		5 THR A 687
ALA A 484
GLY A 485
ALA A 486
PHE A 470
 None
 0.63A 2xh9A-1qafA:
3.9		 2xh9A-1qafA:
21.81
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1qxp MU-LIKE CALPAIN

(Bos taurus;
Rattus
norvegicus) 		PF00648
(Peptidase_C2)
PF01067
(Calpain_III)
PF13833
(EF-hand_8) 		5 SER A 778
TYR A 791
ALA A   2
GLY A   3
ALA A   5
 None
 1.43A 2xh9A-1qxpA:
0.0		 2xh9A-1qxpA:
19.89
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1sez PROTOPORPHYRINOGEN
OXIDASE,
MITOCHONDRIAL

(Nicotiana
tabacum) 		PF01593
(Amino_oxidase) 		5 SER A 481
THR A 303
ALA A 485
GLY A 482
ALA A  28
 None
 1.38A 2xh9A-1sezA:
0.0		 2xh9A-1sezA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1tf0 SERUM ALBUMIN

(Homo sapiens) 		PF00273
(Serum_albumin) 		5 LYS A 432
SER A 193
TYR A 452
ALA A 191
GLY A 189
 None
 1.22A 2xh9A-1tf0A:
0.0		 2xh9A-1tf0A:
20.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1vav ALGINATE LYASE
PA1167

(Pseudomonas
aeruginosa) 		PF08787
(Alginate_lyase2) 		5 SER A 171
SER A 173
TYR A 160
GLY A 163
PHE A 194
 None
 1.41A 2xh9A-1vavA:
undetectable		 2xh9A-1vavA:
20.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x1o NICOTINATE-NUCLEOTID
E PYROPHOSPHORYLASE

(Thermus
thermophilus) 		PF01729
(QRPTase_C)
PF02749
(QRPTase_N) 		5 SER A 246
THR A 138
SER A 266
TYR A 124
GLY A 247
 None
 1.24A 2xh9A-1x1oA:
undetectable		 2xh9A-1x1oA:
23.79
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1x9y CYSTEINE PROTEINASE

(Staphylococcus
aureus) 		PF05543
(Peptidase_C47)
PF14731
(Staphopain_pro) 		5 THR A  79
ALA A  65
GLY A  66
ALA A  68
PHE A  64
 None
 1.43A 2xh9A-1x9yA:
2.1		 2xh9A-1x9yA:
20.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ydn HYDROXYMETHYLGLUTARY
L-COA LYASE

(Brucella
melitensis) 		PF00682
(HMGL-like) 		5 THR A  46
SER A  60
ALA A  91
ALA A  88
ARG A  69
 None
 1.39A 2xh9A-1ydnA:
undetectable		 2xh9A-1ydnA:
22.51
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
1ytm PHOSPHOENOLPYRUVATE
CARBOXYKINASE [ATP]

(Anaerobiospirillum
succiniciproducens) 		PF01293
(PEPCK_ATP) 		5 THR A 398
ALA A 406
GLY A 404
PHE A 407
ARG A  60
 None
None
None
OXD  A 543 (-4.6A)
OXD  A 543 (-4.1A)
 1.20A 2xh9A-1ytmA:
undetectable		 2xh9A-1ytmA:
22.77
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2bfe 2-OXOISOVALERATE
DEHYDROGENASE ALPHA
SUBUNIT

(Homo sapiens) 		PF00676
(E1_dh) 		5 TYR A  86
ALA A 116
GLY A 117
MET A 120
PHE A 129
 None
 1.36A 2xh9A-2bfeA:
undetectable		 2xh9A-2bfeA:
21.00
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ch6 N-ACETYL-D-GLUCOSAMI
NE KINASE

(Homo sapiens) 		PF01869
(BcrAD_BadFG) 		5 SER A 111
ALA A 113
GLY A 110
ALA A 109
ARG A 321
 None
 1.42A 2xh9A-2ch6A:
undetectable		 2xh9A-2ch6A:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ch6 N-ACETYL-D-GLUCOSAMI
NE KINASE

(Homo sapiens) 		PF01869
(BcrAD_BadFG) 		5 SER A 111
TYR A 331
ALA A 113
GLY A 110
ALA A 109
 None
 1.45A 2xh9A-2ch6A:
undetectable		 2xh9A-2ch6A:
23.76
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2d4w GLYCEROL KINASE

(Cellulomonas
sp.) 		PF00370
(FGGY_N)
PF02782
(FGGY_C) 		5 THR A 186
SER A 222
TYR A 226
ALA A 448
ALA A 249
 None
 1.49A 2xh9A-2d4wA:
undetectable		 2xh9A-2d4wA:
23.97
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ef4 ARGINASE

(Thermus
thermophilus) 		PF00491
(Arginase) 		5 SER A 103
ALA A 107
GLY A 106
ALA A 105
ARG A 111
 None
 1.32A 2xh9A-2ef4A:
undetectable		 2xh9A-2ef4A:
21.74
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2f6k METAL-DEPENDENT
HYDROLASE

(Lactobacillus
plantarum) 		PF04909
(Amidohydro_2) 		5 SER A 265
THR A 270
SER A 275
GLY A 264
ALA A 241
 None
 1.48A 2xh9A-2f6kA:
undetectable		 2xh9A-2f6kA:
21.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2ijl MOLYBDENUM-BINDING
TRANSCRIPTIONAL
REPRESSOR

(Agrobacterium
fabrum) 		PF00126
(HTH_1) 		5 SER A  40
SER A  38
ALA A  42
GLY A  43
ALA A  53
 None
 1.37A 2xh9A-2ijlA:
undetectable		 2xh9A-2ijlA:
16.54
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2x4d PHOSPHOLYSINE
PHOSPHOHISTIDINE
INORGANIC
PYROPHOSPHATE
PHOSPHATASE

(Homo sapiens) 		PF13242
(Hydrolase_like)
PF13344
(Hydrolase_6) 		5 SER A  36
THR A 235
ALA A  34
GLY A  35
ALA A 258
 None
 1.28A 2xh9A-2x4dA:
undetectable		 2xh9A-2x4dA:
20.96
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xfs ORF12

(Streptomyces
clavuligerus) 		PF13354
(Beta-lactamase2) 		9 LYS A  89
THR A 209
SER A 234
TYR A 359
ALA A 376
GLY A 377
MET A 383
PHE A 385
ARG A 418
 J01  A 600 (-2.8A)
J01  A 600 (-3.2A)
J01  A 600 (-3.4A)
J01  A 600 (-4.8A)
J01  A 600 (-3.5A)
J01  A 600 ( 3.8A)
J01  A 600 ( 3.9A)
J01  A 600 (-4.7A)
J01  A 600 ( 2.8A)
 0.10A 2xh9A-2xfsA:
68.5		 2xh9A-2xfsA:
99.56
Available target for annotated drug, i.e. matched protein structure has more than 30% sequence identity to known drug target.
2xfs ORF12

(Streptomyces
clavuligerus) 		PF13354
(Beta-lactamase2) 		5 SER A 378
THR A 209
ALA A 173
GLY A 377
ALA A 376
 J01  A 600 (-3.4A)
J01  A 600 (-3.2A)
J01  A 600 ( 4.0A)
J01  A 600 ( 3.8A)
J01  A 600 (-3.5A)
 1.18A 2xh9A-2xfsA:
68.5		 2xh9A-2xfsA:
99.56
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2xn6 THYROXINE-BINDING
GLOBULIN

(Homo sapiens) 		PF00079
(Serpin) 		5 SER A  49
SER A  52
ALA A 347
GLY A 346
ALA A 345
 None
 1.23A 2xh9A-2xn6A:
1.4		 2xh9A-2xn6A:
22.20
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2y9e MYOSIN-2

(Dictyostelium
discoideum) 		PF00063
(Myosin_head)
PF02736
(Myosin_N) 		5 SER X 181
THR X 230
SER X 236
GLY X 182
PHE X 129
 None
 1.38A 2xh9A-2y9eX:
undetectable		 2xh9A-2y9eX:
19.90
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
2yv3 ASPARTATE-SEMIALDEHY
DE DEHYDROGENASE

(Thermus
thermophilus) 		PF01118
(Semialdhyde_dh)
PF02774
(Semialdhyde_dhC) 		5 LYS A 209
SER A  74
TYR A  97
GLY A  71
ARG A 205
 None
 1.25A 2xh9A-2yv3A:
1.8		 2xh9A-2yv3A:
24.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3bit FACT COMPLEX SUBUNIT
SPT16

(Saccharomyces
cerevisiae) 		PF00557
(Peptidase_M24)
PF14826
(FACT-Spt16_Nlob) 		5 SER A 187
THR A 419
SER A 299
TYR A 257
GLY A 190
 None
 1.46A 2xh9A-3bitA:
1.4		 2xh9A-3bitA:
18.91
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3by5 COBALAMIN
BIOSYNTHESIS PROTEIN

(Agrobacterium
fabrum) 		PF01890
(CbiG_C) 		5 SER A  84
ALA A 107
GLY A 108
ALA A 109
ARG A  72
 None
 1.40A 2xh9A-3by5A:
undetectable		 2xh9A-3by5A:
16.16
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3fpz THIAZOLE
BIOSYNTHETIC ENZYME

(Saccharomyces
cerevisiae) 		PF01946
(Thi4) 		5 SER A 312
THR A 234
ALA A 316
GLY A 313
ALA A  80
 None
 1.27A 2xh9A-3fpzA:
undetectable		 2xh9A-3fpzA:
23.57
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i0z PUTATIVE
TAGATOSE-6-PHOSPHATE
KETOSE/ALDOSE
ISOMERASE

(Streptococcus
pneumoniae) 		PF01380
(SIS) 		5 THR A 127
TYR A 103
ALA A  92
GLY A  62
ALA A  63
 None
None
None
None
PO4  A 390 ( 4.6A)
 1.33A 2xh9A-3i0zA:
undetectable		 2xh9A-3i0zA:
24.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3i6d PROTOPORPHYRINOGEN
OXIDASE

(Bacillus
subtilis) 		PF01593
(Amino_oxidase) 		5 SER A 174
THR A 343
ALA A 370
GLY A 179
ALA A 178
 None
 1.28A 2xh9A-3i6dA:
undetectable		 2xh9A-3i6dA:
22.99
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3jsk CYPBP37 PROTEIN

(Neurospora
crassa) 		PF01946
(Thi4) 		5 SER A 322
THR A 246
ALA A 326
GLY A 323
ALA A  94
 None
 1.44A 2xh9A-3jskA:
undetectable		 2xh9A-3jskA:
23.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3nks PROTOPORPHYRINOGEN
OXIDASE

(Homo sapiens) 		PF01593
(Amino_oxidase) 		5 SER A  13
SER A 462
ALA A  17
GLY A  14
ALA A 285
 FAD  A 479 (-3.0A)
None
None
None
None
 1.25A 2xh9A-3nksA:
undetectable		 2xh9A-3nksA:
24.95
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3osu 3-OXOACYL-[ACYL-CARR
IER-PROTEIN]
REDUCTASE

(Staphylococcus
aureus) 		PF13561
(adh_short_C2) 		5 LYS A 166
SER A 140
ALA A 159
GLY A 144
ALA A 145
 None
 1.37A 2xh9A-3osuA:
undetectable		 2xh9A-3osuA:
20.09
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3r4v PUTATIVE
UNCHARACTERIZED
PROTEIN

(Pseudomonas
phage 201phi2-1) 		PF00091
(Tubulin) 		5 SER A  94
THR A  50
ALA A  10
GLY A  11
MET A  15
 GDP  A 400 (-3.8A)
None
None
GDP  A 400 (-3.4A)
None
 1.22A 2xh9A-3r4vA:
undetectable		 2xh9A-3r4vA:
19.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3sqg METHYL COENZYME M
REDUCTASE, ALPHA
SUBUNIT

(uncultured
archaeon) 		PF02249
(MCR_alpha)
PF02745
(MCR_alpha_N) 		5 THR A 304
TYR A 329
ALA A 508
GLY A 509
ALA A 512
 None
 1.27A 2xh9A-3sqgA:
undetectable		 2xh9A-3sqgA:
22.04
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
3v8x TRANSFERRIN-BINDING
PROTEIN 1

(Neisseria
meningitidis) 		PF00593
(TonB_dep_Rec)
PF07715
(Plug) 		5 SER A 159
THR A 623
SER A 625
GLY A 647
ARG A 701
 None
 1.37A 2xh9A-3v8xA:
undetectable		 2xh9A-3v8xA:
18.67
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4a3s 6-PHOSPHOFRUCTOKINAS
E

(Bacillus
subtilis) 		PF00365
(PFK) 		5 SER A 105
SER A   9
GLY A 108
ALA A 109
PHE A  76
 None
 1.28A 2xh9A-4a3sA:
undetectable		 2xh9A-4a3sA:
23.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4as5 INOSITOL
MONOPHOSPHATASE 1

(Mus musculus) 		PF00459
(Inositol_P) 		5 SER A 108
TYR A 211
ALA A 224
GLY A 223
ALA A 222
 None
 1.44A 2xh9A-4as5A:
2.0		 2xh9A-4as5A:
21.35
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4axj ETHANOLAMINE
CARBOXYSOME
STRUCTURAL PROTEIN

(Clostridioides
difficile) 		PF00936
(BMC) 		5 THR A  12
ALA A  63
GLY A  62
ALA A  21
MET A  25
 None
 1.29A 2xh9A-4axjA:
undetectable		 2xh9A-4axjA:
12.88
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4fm9 DNA TOPOISOMERASE
2-ALPHA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		5 SER A 750
THR A 732
ALA A 752
GLY A 749
ALA A 748
 None
 1.29A 2xh9A-4fm9A:
undetectable		 2xh9A-4fm9A:
20.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4h4c 4-HYDROXY-3-METHYLBU
T-2-ENYL DIPHOSPHATE
REDUCTASE

(Escherichia
coli) 		PF02401
(LYTB) 		5 SER A 228
SER A 225
ALA A 268
GLY A 267
ALA A 266
 10D  A 402 ( 4.8A)
10D  A 402 (-2.4A)
SF4  A 401 ( 4.0A)
None
None
 1.23A 2xh9A-4h4cA:
undetectable		 2xh9A-4h4cA:
23.38
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4m1r CELLULASE 5

(soil metagenome) 		PF00150
(Cellulase) 		5 SER A 284
SER A 223
ALA A 288
GLY A 285
ALA A 265
 None
 1.06A 2xh9A-4m1rA:
undetectable		 2xh9A-4m1rA:
20.73
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ox8 CARBON
DIOXIDE-CONCENTRATIN
G MECHANISM PROTEIN
CCMK

(Prochlorococcus
marinus) 		PF00936
(BMC) 		5 THR A  15
ALA A  66
GLY A  65
ALA A  24
MET A  28
 None
 1.32A 2xh9A-4ox8A:
undetectable		 2xh9A-4ox8A:
14.96
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ptz FMN REDUCTASE SSUE

(Escherichia
coli) 		no annotation 5 SER C   8
SER C  13
ALA C   6
ALA C  72
ARG C  23
 FMN  C 201 (-2.6A)
FMN  C 201 (-2.5A)
None
None
None
 1.23A 2xh9A-4ptzC:
undetectable		 2xh9A-4ptzC:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4ptz FMN REDUCTASE SSUE

(Escherichia
coli) 		no annotation 5 SER C   8
SER C  13
ALA C   6
GLY C   7
ALA C  72
 FMN  C 201 (-2.6A)
FMN  C 201 (-2.5A)
None
None
None
 1.43A 2xh9A-4ptzC:
undetectable		 2xh9A-4ptzC:
19.28
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4rkz PUTATIVE
UNCHARACTERIZED
PROTEIN TA1305

(Thermoplasma
acidophilum) 		no annotation 5 SER A 108
SER A 139
ALA A 112
GLY A 111
ALA A 110
 ADP  A 401 (-3.2A)
None
None
ADP  A 401 (-3.3A)
None
 1.28A 2xh9A-4rkzA:
undetectable		 2xh9A-4rkzA:
23.14
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4s1p UNCHARACTERIZED
PROTEIN

(Slackia
heliotrinireducens) 		PF13472
(Lipase_GDSL_2) 		5 SER A 138
SER A  88
ALA A 140
GLY A 139
ALA A 135
 None
 1.50A 2xh9A-4s1pA:
undetectable		 2xh9A-4s1pA:
19.42
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
4xpu ENDONUCLEASE V

(Escherichia
coli) 		PF04493
(Endonuclease_5) 		5 THR A 127
ALA A  32
GLY A  33
ALA A  34
MET A  49
 None
 1.06A 2xh9A-4xpuA:
undetectable		 2xh9A-4xpuA:
21.32
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5by7 3-OXOACYL-ACP
SYNTHASE III

(Verrucosispora
maris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 SER A 105
THR A 183
SER A 315
ALA A 107
GLY A 106
 None
 1.23A 2xh9A-5by7A:
undetectable		 2xh9A-5by7A:
24.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5by7 3-OXOACYL-ACP
SYNTHASE III

(Verrucosispora
maris) 		PF08541
(ACP_syn_III_C)
PF08545
(ACP_syn_III) 		5 SER A 105
THR A 183
SER A 315
ALA A 107
PHE A 286
 None
 1.48A 2xh9A-5by7A:
undetectable		 2xh9A-5by7A:
24.31
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5cyf PUTATIVE URIDINE
PHOSPHORYLASE

(Schistosoma
mansoni) 		PF01048
(PNP_UDP_1) 		5 SER A  74
TYR A  81
ALA A  72
GLY A  73
ALA A  76
 None
 1.50A 2xh9A-5cyfA:
undetectable		 2xh9A-5cyfA:
21.49
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5eso 2-SUCCINYL-5-ENOLPYR
UVYL-6-HYDROXY-3-CYC
LOHEXENE-1-CARBOXYLA
TE SYNTHASE

(Mycobacterium
tuberculosis) 		PF02776
(TPP_enzyme_N) 		5 THR A 434
ALA A 417
GLY A  68
ALA A 414
ARG A  48
 None
 1.49A 2xh9A-5esoA:
undetectable		 2xh9A-5esoA:
24.58
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5f15 4-AMINO-4-DEOXY-L-AR
ABINOSE (L-ARA4N)
TRANSFERASE

(Cupriavidus
metallidurans) 		PF13231
(PMT_2) 		5 SER A 166
SER A 122
GLY A 163
ALA A 162
MET A 159
 None
 1.39A 2xh9A-5f15A:
undetectable		 2xh9A-5f15A:
22.70
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5gwj DNA TOPOISOMERASE
2-BETA

(Homo sapiens) 		PF00521
(DNA_topoisoIV)
PF01751
(Toprim)
PF16898
(TOPRIM_C) 		5 SER A 766
THR A 748
ALA A 768
GLY A 765
ALA A 764
 None
 1.30A 2xh9A-5gwjA:
undetectable		 2xh9A-5gwjA:
19.52
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5ja1 ENTEROBACTIN
SYNTHASE COMPONENT F

(Escherichia
coli) 		PF00501
(AMP-binding)
PF00550
(PP-binding)
PF00668
(Condensation)
PF00975
(Thioesterase)
PF13193
(AMP-binding_C) 		5 SER A 592
SER A 458
ALA A 528
GLY A 529
ALA A 530
 None
 1.10A 2xh9A-5ja1A:
undetectable		 2xh9A-5ja1A:
17.94
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l38 MSM0272 - RMM
MICROCOMPARTMENT
SHELL PROTEIN

(Mycolicibacterium
smegmatis) 		PF00936
(BMC) 		5 SER A  66
ALA A  62
GLY A  61
ALA A  20
MET A  24
 None
 1.44A 2xh9A-5l38A:
undetectable		 2xh9A-5l38A:
12.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5l38 MSM0272 - RMM
MICROCOMPARTMENT
SHELL PROTEIN

(Mycolicibacterium
smegmatis) 		PF00936
(BMC) 		5 THR A  11
ALA A  62
GLY A  61
ALA A  20
MET A  24
 None
 1.46A 2xh9A-5l38A:
undetectable		 2xh9A-5l38A:
12.23
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5o8x SOLUBLE LYTIC
TRANSGLYCOSYLASE B

(Pseudomonas
aeruginosa) 		no annotation 5 ALA A 162
GLY A 163
ALA A 164
MET A 171
ARG A 132
 None
None
None
CAC  A 402 (-4.2A)
None
 1.39A 2xh9A-5o8xA:
undetectable		 2xh9A-5o8xA:
14.84
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5wzr ALPHA-N-ACETYLGALACT
OSAMINIDASE

(Bifidobacterium
bifidum) 		PF11308
(Glyco_hydro_129) 		5 TYR A 217
ALA A 189
GLY A 190
MET A 206
PHE A 208
 None
 1.49A 2xh9A-5wzrA:
2.7		 2xh9A-5wzrA:
22.71
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xyi UNCHARACTERIZED
PROTEIN

(Trichomonas
vaginalis) 		PF00163
(Ribosomal_S4)
PF00333
(Ribosomal_S5)
PF01479
(S4)
PF03719
(Ribosomal_S5_C) 		5 THR C 219
SER C 215
GLY C 196
ALA C 198
ARG J  15
 U  2   3 ( 4.1A)
U  2   3 ( 3.5A)
U  2   3 ( 3.9A)
U  2   4 ( 4.3A)
U  2   3 ( 2.9A)
 1.33A 2xh9A-5xyiC:
undetectable		 2xh9A-5xyiC:
22.47
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
5xzu BETA-XYLANASE

(Bispora sp.
MEY-1) 		no annotation 5 SER A 145
TYR A 182
ALA A 196
GLY A 144
ALA A 143
 None
 1.34A 2xh9A-5xzuA:
undetectable		 2xh9A-5xzuA:
11.34
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6a8m -

(-) 		no annotation 5 SER A 188
THR A 420
SER A 300
TYR A 258
GLY A 191
 None
 1.35A 2xh9A-6a8mA:
undetectable		 2xh9A-6a8mA:
undetectable
Potential target for repurposing, i.e. matched protein structure has less than 30% sequence identity to known drug target, and may potentially interact with the same drug molecule based on local structural similarity of binding site.
6d5i PHOSPHOENOLPYRUVATE
CARBOXYKINASE (ATP)

(Escherichia
coli) 		no annotation 5 THR A 404
ALA A 412
GLY A 410
PHE A 413
ARG A  65
 None
None
None
None
PYR  A 602 (-4.0A)
 1.09A 2xh9A-6d5iA:
undetectable		 2xh9A-6d5iA:
10.51